1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea

C19H25N3O2S — CID 10109129

IUPAC1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea
SMILESCOc1ccc(CSc2ccccc2NC(=O)NCCN(C)C)cc1
InChIInChI=1S/C19H25N3O2S/c1-22(2)13-12-20-19(23)21-17-6-4-5-7-18(17)25-14-15-8-10-16(24-3)11-9-15/h4-11H,12-14H2,1-3H3,(H2,20,21,23)
InChIKeyMDXIFCRAOMGMFK-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.67
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea

1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea (PubChem CID 10109129) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea
PubChem CID10109129
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea
SMILESCOc1ccc(CSc2ccccc2NC(=O)NCCN(C)C)cc1
InChIInChI=1S/C19H25N3O2S/c1-22(2)13-12-20-19(23)21-17-6-4-5-7-18(17)25-14-15-8-10-16(24-3)11-9-15/h4-11H,12-14H2,1-3H3,(H2,20,21,23)
InChIKeyMDXIFCRAOMGMFK-UHFFFAOYSA-N
XLogP3.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylamino]phenyl]urea
CID 10268959
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
1-[2-(dimethylamino)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871524
1-[2-(dimethylamino)ethyl]-3-(2-ethylphenyl)urea
CID 23764430
1-[2-(dimethylamino)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 108988227
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220188
N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 110373640
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 127523781
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea (CID 10109129) is 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea is COc1ccc(CSc2ccccc2NC(=O)NCCN(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea?
The InChIKey is MDXIFCRAOMGMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-22(2)13-12-20-19(23)21-17-6-4-5-7-18(17)25-14-15-8-10-16(24-3)11-9-15/h4-11H,12-14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea?
1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea has a molecular weight of 359.50 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[2-[(4-methoxyphenyl)methylsulfanyl]phenyl]urea is sourced from PubChem (CID 10109129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).